3-Benzyl-1-ethyl-1-(pyridin-4-ylmethyl)thiourea
TL;DR: 3-Benzyl-1-ethyl-1-(pyridin-4-ylmethyl)thiourea (CAS 485378-95-8) is a chemical compound with molecular formula C16H19N3S and molecular weight 285.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-1-ethyl-1-(pyridin-4-ylmethyl)thiourea
Also Known As: 3-benzyl-1-ethyl-1-(pyridin-4-ylmethyl)thiourea, N'-Benzyl-N-ethyl-N-[(pyridin-4-yl)methyl]thiourea
| Molecular Formula | C16H19N3S |
|---|---|
| Molecular Weight | 285.13 g/mol |
| LogP | 2.9782 |
| Topological Polar Surface Area | 28.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 285.12997 |
| Heavy Atoms | 20 |
| Complexity | 527.9329 |
Chemical Identifiers
| CAS Number | 485378-95-8 |
|---|---|
| SMILES | CCN(CC1=CC=NC=C1)C(=S)NCC2=CC=CC=C2 |
Product Overview
3-Benzyl-1-ethyl-1-(pyridin-4-ylmethyl)thiourea (CAS 485378-95-8), with molecular formula C16H19N3S and molecular weight 285.13 g/mol. IUPAC: 3-benzyl-1-ethyl-1-(pyridin-4-ylmethyl)thiourea.
Chemical Property Profile of 3-Benzyl-1-ethyl-1-(pyridin-4-ylmethyl)thiourea
Property Insights of 3-Benzyl-1-ethyl-1-(pyridin-4-ylmethyl)thiourea
The XLogP value of 2.9782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzyl-1-ethyl-1-(pyridin-4-ylmethyl)thiourea. With a topological polar surface area (TPSA) of 28.16 Ų, 3-Benzyl-1-ethyl-1-(pyridin-4-ylmethyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-1-ethyl-1-(pyridin-4-ylmethyl)thiourea has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Benzyl-1-ethyl-1-(pyridin-4-ylmethyl)thiourea?
The CAS number of 3-Benzyl-1-ethyl-1-(pyridin-4-ylmethyl)thiourea is 485378-95-8.
What is the molecular formula of 3-Benzyl-1-ethyl-1-(pyridin-4-ylmethyl)thiourea?
The molecular formula of 3-Benzyl-1-ethyl-1-(pyridin-4-ylmethyl)thiourea is C16H19N3S.
What is the molecular weight of 3-Benzyl-1-ethyl-1-(pyridin-4-ylmethyl)thiourea?
The molecular weight of 3-Benzyl-1-ethyl-1-(pyridin-4-ylmethyl)thiourea is 285.13 g/mol.
Where can I buy 3-Benzyl-1-ethyl-1-(pyridin-4-ylmethyl)thiourea?
You can request a quote for 3-Benzyl-1-ethyl-1-(pyridin-4-ylmethyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl-1-ethyl-1-(pyridin-4-ylmethyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-1-ethyl-1-(pyridin-4-ylmethyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.